Question: Given a molecule with an unknown structure, how can we predict the potential energy surface (PES) and molecular properties of the molecule by applying advanced quantum chemistry methods and computational techniques?
Atomic Structure
The basic structure of an atom is defined as the component-level of atomic structure of an atom. Precisely speaking an atom consists of three major subatomic particles which are protons, neutrons, and electrons. Many theories have been stated for explaining the structure of an atom.
Shape of the D Orbital
Shapes of orbitals are an approximate representation of boundaries in space for finding electrons occupied in that respective orbital. D orbitals are known to have a clover leaf shape or dumbbell inside where electrons can be found.
Question: Given a molecule with an unknown structure, how can we predict the potential energy surface (PES) and molecular properties of the molecule by applying advanced quantum chemistry methods and computational techniques?
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